7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

C14H17N3O4S2 — CID 54728215

IUPAC7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCCN2CCOCC2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C14H17N3O4S2/c15-13(20)10-11-12(8(18)7-9(19)16-11)23-14(10)22-6-3-17-1-4-21-5-2-17/h7H,1-6H2,(H2,15,20)(H2,16,18,19)
InChIKeyLYVLCBBBTWJEHF-UHFFFAOYSA-N
MW355.44 g/mol
LogP0.82
Rot. Bonds5

About 7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (PubChem CID 54728215) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
PubChem CID54728215
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC Name7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
SMILESNC(=O)c1c(SCCN2CCOCC2)sc2c(O)cc(=O)[nH]c12
InChIInChI=1S/C14H17N3O4S2/c15-13(20)10-11-12(8(18)7-9(19)16-11)23-14(10)22-6-3-17-1-4-21-5-2-17/h7H,1-6H2,(H2,15,20)(H2,16,18,19)
InChIKeyLYVLCBBBTWJEHF-UHFFFAOYSA-N
XLogP0.82
TPSA108.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide (CID 54728215) is 7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is NC(=O)c1c(SCCN2CCOCC2)sc2c(O)cc(=O)[nH]c12.
What is the InChIKey of 7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
The InChIKey is LYVLCBBBTWJEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c15-13(20)10-11-12(8(18)7-9(19)16-11)23-14(10)22-6-3-17-1-4-21-5-2-17/h7H,1-6H2,(H2,15,20)(H2,16,18,19).
What are the key properties of 7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide?
7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(2-morpholin-4-ylethylsulfanyl)-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 54728215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).